CAS 17026-42-5 | (+);-Dibenzoyl-D-tartaric acid | CAS Number 17026-42-5

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17026-42-5 | (+);-Dibenzoyl-D-tartaric acid

CAS No: 17026-42-5 Catalog No: AG003BCP MDL No:MFCD00063222

Product Description

Catalog Number:

AG003BCP

Chemical Name:

(+);-Dibenzoyl-D-tartaric acid

CAS Number:

17026-42-5

Molecular Formula:

C18H14O8

Molecular Weight:

358.2990

MDL Number:

MFCD00063222

IUPAC Name:

(2S,3S)-2,3-dibenzoyloxybutanedioic acid

InChI:

InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)/t13-,14-/m0/s1

InChI Key:

YONLFQNRGZXBBF-KBPBESRZSA-N

SMILES:

OC(=O)C(C(C(=O)O)OC(=O)c1ccccc1)OC(=O)c1ccccc1

NSC Number:

97424

Properties

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

358.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

358.302g/mol

Monoisotopic Mass:

358.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

127A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Design, synthesis, and pharmacological characterization of novel spirocyclic quinuclidinyl-Δ2-isoxazoline derivatives as potent and selective agonists of α7 nicotinic acetylcholine receptors.	ChemMedChem 20110502
A novel small-molecule inhibitor of the avian influenza H5N1 virus determined through computational screening against the neuraminidase.	Journal of medicinal chemistry 20090514